[4-diphenoxyphosphoryl-4-(phenylcarbamothioylamino)butan-2-yl]germanium pentahydrate

Systemtic Name: [4-diphenoxyphosphoryl-4-(phenylcarbamothioylamino)butan-2-yl]germanium pentahydrate Openeye Name: [3-diphenoxyphosphoryl-1-methyl-3-(phenylcarbamothioylamino)propyl]germanium pentahydrate CAS Name: [4-[[anilino(sulfanylidene)methyl]amino]-4-diphenoxyphosphorylbutan-2-yl]germanium pentahydrate IUPAC Name: [4-diphenoxyphosphoryl-4-(phenylcarbamothioylamino)butan-2-yl]germanium pentahydrate Traditional Name: [3-diphenoxyphosphoryl-1-methyl-3-(phenylthiocarbamoylamino)propyl]germanium pentahydrate Formula: C46H58Ge2N4O11P2S2 MolecularWeight: 1114.330442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)[Ge].CC(CC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)[Ge].O.O.O.O.O

Isomeric SMILES

CC(CC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)[Ge].CC(CC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)[Ge].O.O.O.O.O

InChI

InChI=1S/2C23H24GeN2O3PS.5H2O/c2*1-18(24)17-22(26-23(31)25-19-11-5-2-6-12-19)30(27,28-20-13-7-3-8-14-20)29-21-15-9-4-10-16-21;;;;;/h2*2-16,18,22H,17H2,1H3,(H2,25,26,31);5*1H2